SCHEMBL6692792

SCHEMBL6692792

O=S(=O)([O-])c1c(O)c(O)cc2ccccc12.[Na+]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 3/20 0.40
CYP2D6 P10635 1/20 0.46
TRPM4 Q8TD43 1/20 0.46
MPL P40238 1/20 0.44
CASP6 P55212 2/20 0.40
NQO2 P16083 1/20 0.40
DUSP5 Q16690 2/20 0.40
TTR P02766 1/20 0.40
PKLR P30613 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
INPPL1 O15357 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10485530 0.87 DUSP5 (0.38) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL3262066 0.82 CYP2D6 (0.66) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL30996433 0.82 CYP2D6 (0.66) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL11302691 0.82 CYP2D6 (0.49) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL2517645 0.81 CYP2D6 (0.45) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL8157496 0.81 CYP3A4 (0.45) CYP2D6MEN1CYP3A4KMT2ATDP1
SCHEMBL11131209 0.81 CYP2D6 (0.64) CYP2D6TRPM4MPLTHRBCASP6
SCHEMBL1730358 0.79 ERN1 (0.50) MPLMEN1POLBMAPTKMT2A
Potassium Ion SCHEMBL11148013 0.78 CYP2D6 (0.56) CYP2D6MPLTHRBCASP6MEN1
SCHEMBL11010977 0.77 CASP6 (0.41) CYP2D6TRPM4MPLTHRBCASP6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119287525-A Texturing additive, texturing liquid and use method thereof 常州时创能源股份有限公司 2025-01-10 CN claimed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO claimed
JP-58055290-A None JP disclosed
CN-119287525-A Texturing additive, texturing liquid and use method thereof 常州时创能源股份有限公司 2025-01-10 CN disclosed
WO-2004108414-A2 LITHOGRAPHIC PRINTING PLATE SYSTEM AND METHOD FOR MANUFACTURING THE PLATE SYSTEM DIGITAL MIND S.R.L. (IT) 2004-12-16 WO disclosed
US-20040248029-A1 Lithographic printing plate system and method for manufacturing the plate system DIGITAL MIND S.R.L. 2004-12-09 US disclosed
US-5080982-A Magnetic recording medium KAO CORPORATION (JP) 1992-01-14 US disclosed
JP-S5855290-A HEAT-SENSITIVE RECORDING MEDIUM TOMOEGAWA PAPER CO LTD 1983-04-01 JP disclosed